7-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C10H16N6O2 — CID 114218059

IUPAC7-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNCc1nc(CN2CCN3C(=O)NCC3C2)no1
InChIInChI=1S/C10H16N6O2/c11-3-9-13-8(14-18-9)6-15-1-2-16-7(5-15)4-12-10(16)17/h7H,1-6,11H2,(H,12,17)
InChIKeyAUAAEEYKDXCTAX-UHFFFAOYSA-N
MW252.28 g/mol
LogP-1.26
Rot. Bonds3

About 7-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 114218059) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 7-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID114218059
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name7-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNCc1nc(CN2CCN3C(=O)NCC3C2)no1
InChIInChI=1S/C10H16N6O2/c11-3-9-13-8(14-18-9)6-15-1-2-16-7(5-15)4-12-10(16)17/h7H,1-6,11H2,(H,12,17)
InChIKeyAUAAEEYKDXCTAX-UHFFFAOYSA-N
XLogP-1.26
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one with MolForge

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Related Compounds

[3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750400
[3-[(2-methylthiomorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120751752
[3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751873
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-dimethylpiperidin-3-amine;dihydrochloride
CID 120752789
[3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120751176
[3-[[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752611
7-[(4-bromothiophen-2-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091597
3-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 120751907
[3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752882
2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-1-(azepan-1-yl)ethanone
CID 120752571
[3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752482
[3-[(4-cyclopentyloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751593

Frequently Asked Questions

What is the IUPAC name of 7-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 114218059) is 7-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is NCc1nc(CN2CCN3C(=O)NCC3C2)no1.
What is the InChIKey of 7-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is AUAAEEYKDXCTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c11-3-9-13-8(14-18-9)6-15-1-2-16-7(5-15)4-12-10(16)17/h7H,1-6,11H2,(H,12,17).
What are the key properties of 7-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 252.28 g/mol, XLogP of -1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 114218059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).